SCHEMBL7290443

SCHEMBL7290443

O=C(CCC(=S)Cl)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.63
▸ MAPT P10636 4/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ TDP1 Q9NUW8 3/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MAPK1 P28482 3/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ GSK3B P49841 2/20 0.54
▸ TRPA1 O75762 1/20 0.54
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CTNNB1 P35222 1/20 0.53
▸ WNT3A P56704 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL719034 0.84 NR4A2 (0.85) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL30121738 0.84 NR4A2 (0.85) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL8834212 0.83 NR4A2 (0.68) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL9000861 0.83 NR4A2 (0.68) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL11483219 0.81 KMT2A (0.67) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL4476891 0.81 NR4A2 (0.65) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL7043064 0.79 NR4A2 (0.63) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL27945874 0.78 ALDH1A1 (0.87) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL354105 0.78 NR4A2 (1.00) NR4A2MAPTL3MBTL1LMNATDP1
SCHEMBL11271325 0.77 NR4A2 (0.55) NR4A2MAPTL3MBTL1LMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103927-B1 CONVERTING ENZYME INHIBITORS Norwich Eaton Pharmaceuticals, Inc. (US) 1986-06-04 — — EP disclosed
US-4461896-A 1-[Acylthio) and (mercapto)-1-oxoalkyl]-1,2,3,4-tetrahydroquinoline-2-carboxylic acids NORWICH EATON PHARMACEUTICALS, INC. (US) 1984-07-24 — — US disclosed
US-4442038-A Converting enzyme inhibitors NORWICH EATON PHARMACEUTICALS, INC. 1984-04-10 — — US disclosed
EP-0103927-A1 Converting enzyme inhibitors Norwich Eaton Pharmaceuticals, Inc. (US) 1984-03-28 — — EP disclosed
EP-0012845-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 — — EP disclosed
EP-0012845-A1 Tetrahydroisoquinoline compounds, process for preparing same and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-07-09 — — EP disclosed
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